The title compound, heptamolybdenum(VI) tetragadolinate(III), a novel phase in the the Gd
2O
3–MoO
3 system, has been prepared by pyrolysis of [Gd
2(H
2O)
12Mo
8O
27]·8H
2O at 1023 K for 2 h in air. The compound can be described as a layer structure consisting of {MoO
4}-, {Mo
3O
11}- and {Gd}-containing layers, which are stacked along the
a direction. The {Mo
3O
11} group is composed of trigonal bipyramidal MoO
5 connected to two MoO
4 tetrahedra, with corner-sharing. The coordination polyhedra of square-antiprismatic GdO
8 and monocapped trigonal prismatic GdO
7 are dimerized to give {Gd
2O
n} (
n = 12 and 13) groups which possess short Gd
Gd separations [3.6345 (4)–3.6404 (4) Å].
Supporting information
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (Mo-O) = 0.005 Å
- R factor = 0.039
- wR factor = 0.108
- Data-to-parameter ratio = 19.7
checkCIF results
No syntax errors found
ADDSYM reports no extra symmetry
Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: TEXSAN (Molecular Structure Corporation, 2000; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation, 2000; software used to prepare material for publication: TEXSAN (Molecular Structure Corporation, 2000.
Crystal data top
Gd4Mo7O27 | F(000) = 6128.0 |
Mr = 1732.56 | Dx = 4.908 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.7107 Å |
Hall symbol: -C 2yc | Cell parameters from 15047 reflections |
a = 23.034 (2) Å | θ = 2.8–30.0° |
b = 14.677 (2) Å | µ = 14.88 mm−1 |
c = 14.348 (1) Å | T = 296 K |
β = 104.816 (3)° | Block, colorless |
V = 4689.4 (8) Å3 | 0.15 × 0.11 × 0.11 mm |
Z = 8 | |
Data collection top
Rigaku RAXIS-RAPID Imaging Plate diffractometer | 5944 reflections with F2 > 2σ(F2) |
Detector resolution: 10.00 pixels mm-1 | Rint = 0.048 |
ω scans | θmax = 30.0° |
Absorption correction: numerical (Higashi, 1999) | h = 0→32 |
Tmin = 0.101, Tmax = 0.197 | k = 0→20 |
24606 measured reflections | l = −20→19 |
6779 independent reflections | |
Refinement top
Refinement on F2 | w = 1/[σ2(Fo2) + (0.05(Max(Fo2,0) + 2Fc2)/3)2] |
R[F2 > 2σ(F2)] = 0.039 | (Δ/σ)max = 0.002 |
wR(F2) = 0.108 | Δρmax = 4.62 e Å−3 |
S = 1.38 | Δρmin = −3.57 e Å−3 |
6778 reflections | Extinction correction: Zachariasen (1967) type 2 Gaussian isotropic |
344 parameters | Extinction coefficient: 0.00217 (4) |
Special details top
Refinement. Refinement using reflections with F2 > -10.0 σ(F2). The
weighted R-factor (wR) and goodness of fit (S) are based
on F2. R-factor (gt) are based on F. The threshold
expression of F2 > 2.0 σ(F2) is used only for calculating
R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Gd(1) | 0.11465 (1) | 0.94156 (2) | 0.14469 (2) | 0.00925 (7) | |
Gd(2) | 0.62225 (1) | 0.80732 (2) | −0.06296 (2) | 0.00899 (7) | |
Gd(3) | 0.61114 (1) | 0.94038 (2) | 0.14541 (2) | 0.00921 (7) | |
Gd(4) | 0.38042 (1) | 0.69462 (2) | 0.06521 (2) | 0.00984 (7) | |
Mo(1) | 0.25560 (2) | 0.80117 (3) | 0.16578 (4) | 0.0099 (1) | |
Mo(2) | 0.22995 (2) | 0.88003 (3) | 0.38708 (4) | 0.0106 (1) | |
Mo(3) | 0.23504 (2) | 0.59750 (3) | 0.29825 (4) | 0.0107 (1) | |
Mo(4) | 0.56999 (2) | 1.05445 (3) | −0.10012 (4) | 0.0097 (1) | |
Mo(5) | −0.06886 (2) | 0.94988 (3) | 0.10152 (4) | 0.0098 (1) | |
Mo(6) | 0.06131 (2) | 0.69567 (3) | 0.14512 (4) | 0.0094 (1) | |
Mo(7) | 0.56210 (2) | 0.69421 (3) | 0.14586 (4) | 0.0097 (1) | |
O(1) | 0.5791 (2) | 0.9741 (3) | 0.2866 (3) | 0.020 (1) | |
O(2) | 0.5900 (2) | 0.7855 (3) | 0.0866 (3) | 0.016 (1) | |
O(3) | 0.5899 (2) | 0.9543 (3) | −0.0254 (3) | 0.0115 (9) | |
O(4) | 0.6002 (2) | 0.7932 (4) | −0.2341 (4) | 0.024 (1) | |
O(5) | 0.6005 (2) | 0.6541 (3) | −0.0587 (4) | 0.019 (1) | |
O(6) | 0.1990 (2) | 0.8789 (3) | 0.2568 (3) | 0.0147 (10) | |
O(7) | 0.3847 (2) | 0.8488 (3) | 0.0598 (3) | 0.016 (1) | |
O(8) | 0.4001 (3) | 0.6987 (4) | 0.2320 (4) | 0.027 (1) | |
O(9) | 0.0747 (2) | 1.0873 (3) | 0.1023 (4) | 0.020 (1) | |
O(10) | 0.0868 (2) | 0.9721 (4) | 0.2896 (3) | 0.024 (1) | |
O(11) | 0.0870 (2) | 0.7878 (3) | 0.0820 (3) | 0.016 (1) | |
O(12) | 0.1952 (2) | 1.0459 (3) | 0.1563 (4) | 0.019 (1) | |
O(13) | 0.0079 (2) | 0.9342 (3) | 0.1207 (4) | 0.019 (1) | |
O(14) | 0.2459 (2) | 0.7153 (3) | 0.2609 (4) | 0.020 (1) | |
O(15) | 0.7034 (2) | 0.7161 (3) | −0.0662 (4) | 0.019 (1) | |
O(16) | 0.6947 (2) | 0.9030 (3) | −0.1151 (4) | 0.021 (1) | |
O(17) | 0.5163 (2) | 0.7981 (3) | −0.1277 (4) | 0.022 (1) | |
O(18) | 0.6888 (2) | 0.8735 (3) | 0.0817 (3) | 0.0152 (10) | |
O(19) | 0.5052 (2) | 0.9183 (3) | 0.1124 (4) | 0.018 (1) | |
O(20) | 0.5768 (2) | 1.0886 (3) | 0.1027 (4) | 0.020 (1) | |
O(21) | 0.4845 (2) | 0.7071 (3) | 0.1282 (4) | 0.022 (1) | |
O(22) | 0.6955 (2) | 1.0383 (3) | 0.1964 (4) | 0.022 (1) | |
O(23) | 0.6866 (2) | 0.8761 (3) | 0.2853 (3) | 0.016 (1) | |
O(24) | 0.2860 (2) | 0.7268 (3) | 0.0976 (3) | 0.0157 (10) | |
O(25) | 0.1948 (2) | 0.8495 (3) | 0.0776 (3) | 0.017 (1) | |
O(26) | 0.0931 (2) | 0.9504 (3) | −0.0246 (3) | 0.0124 (10) | |
O(27) | 0.2052 (2) | 0.9758 (3) | 0.4309 (4) | 0.023 (1) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Gd(1) | 0.0084 (1) | 0.0099 (1) | 0.0090 (1) | 0.00012 (8) | 0.0015 (1) | 0.00032 (9) |
Gd(2) | 0.0077 (1) | 0.0096 (1) | 0.0097 (1) | −0.00016 (8) | 0.0025 (1) | −0.00106 (9) |
Gd(3) | 0.0083 (1) | 0.0098 (1) | 0.0095 (1) | 0.00081 (8) | 0.0022 (1) | −0.00027 (9) |
Gd(4) | 0.0092 (1) | 0.0107 (1) | 0.0095 (2) | 0.00068 (9) | 0.0021 (1) | −0.00091 (9) |
Mo(1) | 0.0074 (2) | 0.0121 (2) | 0.0099 (2) | −0.0009 (2) | 0.0016 (2) | −0.0006 (2) |
Mo(2) | 0.0069 (2) | 0.0139 (2) | 0.0106 (2) | 0.0005 (2) | 0.0014 (2) | 0.0010 (2) |
Mo(3) | 0.0093 (2) | 0.0096 (2) | 0.0135 (2) | 0.0005 (2) | 0.0034 (2) | 0.0007 (2) |
Mo(4) | 0.0085 (2) | 0.0097 (2) | 0.0107 (2) | 0.0008 (2) | 0.0023 (2) | 0.0014 (2) |
Mo(5) | 0.0092 (2) | 0.0101 (2) | 0.0101 (2) | 0.0005 (2) | 0.0023 (2) | 0.0013 (2) |
Mo(6) | 0.0079 (2) | 0.0105 (2) | 0.0097 (2) | −0.0002 (2) | 0.0023 (2) | 0.0004 (2) |
Mo(7) | 0.0081 (2) | 0.0112 (2) | 0.0098 (2) | −0.0003 (2) | 0.0022 (2) | 0.0002 (2) |
O(1) | 0.019 (2) | 0.026 (2) | 0.015 (2) | 0.003 (2) | 0.007 (2) | 0.000 (2) |
O(2) | 0.018 (2) | 0.013 (2) | 0.019 (2) | 0.000 (2) | 0.008 (2) | −0.002 (2) |
O(3) | 0.017 (2) | 0.010 (2) | 0.008 (2) | 0.003 (2) | 0.004 (2) | 0.000 (1) |
O(4) | 0.023 (3) | 0.038 (3) | 0.012 (2) | 0.002 (2) | 0.003 (2) | −0.003 (2) |
O(5) | 0.014 (2) | 0.013 (2) | 0.028 (3) | −0.002 (2) | 0.003 (2) | 0.000 (2) |
O(6) | 0.014 (2) | 0.018 (2) | 0.010 (2) | 0.002 (2) | 0.001 (2) | 0.002 (2) |
O(7) | 0.016 (2) | 0.013 (2) | 0.021 (2) | 0.001 (2) | 0.005 (2) | −0.001 (2) |
O(8) | 0.023 (3) | 0.046 (3) | 0.013 (2) | 0.006 (2) | 0.004 (2) | 0.000 (2) |
O(9) | 0.022 (2) | 0.014 (2) | 0.026 (3) | 0.003 (2) | 0.008 (2) | 0.005 (2) |
O(10) | 0.023 (2) | 0.037 (3) | 0.012 (2) | −0.001 (2) | 0.005 (2) | −0.003 (2) |
O(11) | 0.024 (2) | 0.014 (2) | 0.014 (2) | −0.002 (2) | 0.008 (2) | 0.001 (2) |
O(12) | 0.015 (2) | 0.021 (2) | 0.022 (2) | −0.003 (2) | 0.006 (2) | 0.001 (2) |
O(13) | 0.010 (2) | 0.025 (2) | 0.023 (2) | −0.001 (2) | 0.004 (2) | 0.000 (2) |
O(14) | 0.021 (2) | 0.015 (2) | 0.028 (3) | 0.000 (2) | 0.012 (2) | 0.000 (2) |
O(15) | 0.010 (2) | 0.024 (2) | 0.024 (2) | 0.001 (2) | 0.006 (2) | −0.009 (2) |
O(16) | 0.026 (2) | 0.017 (2) | 0.027 (3) | −0.006 (2) | 0.019 (2) | −0.003 (2) |
O(17) | 0.009 (2) | 0.025 (2) | 0.030 (3) | 0.003 (2) | 0.002 (2) | −0.003 (2) |
O(18) | 0.006 (2) | 0.020 (2) | 0.018 (2) | −0.001 (2) | 0.002 (2) | −0.002 (2) |
O(19) | 0.010 (2) | 0.020 (2) | 0.022 (2) | 0.001 (2) | 0.004 (2) | −0.001 (2) |
O(20) | 0.025 (2) | 0.014 (2) | 0.022 (2) | 0.004 (2) | 0.008 (2) | 0.003 (2) |
O(21) | 0.009 (2) | 0.024 (2) | 0.032 (3) | 0.002 (2) | 0.003 (2) | −0.002 (2) |
O(22) | 0.024 (2) | 0.022 (2) | 0.019 (2) | −0.007 (2) | 0.005 (2) | −0.001 (2) |
O(23) | 0.012 (2) | 0.023 (2) | 0.015 (2) | 0.004 (2) | 0.004 (2) | 0.002 (2) |
O(24) | 0.008 (2) | 0.023 (2) | 0.017 (2) | 0.003 (2) | 0.005 (2) | −0.005 (2) |
O(25) | 0.013 (2) | 0.019 (2) | 0.015 (2) | 0.003 (2) | 0.000 (2) | −0.002 (2) |
O(26) | 0.017 (2) | 0.010 (2) | 0.010 (2) | 0.004 (2) | 0.005 (2) | 0.001 (1) |
O(27) | 0.023 (2) | 0.025 (2) | 0.022 (2) | 0.007 (2) | 0.006 (2) | −0.007 (2) |
Geometric parameters (Å, º) top
Gd(1)—O(9) | 2.346 (4) | Gd(4)—O(11)i | 2.428 (5) |
Gd(1)—O(26) | 2.355 (4) | Mo(1)—O(24) | 1.729 (4) |
Gd(1)—O(6) | 2.368 (4) | Mo(1)—O(23)ii | 1.732 (4) |
Gd(1)—O(10) | 2.371 (5) | Mo(1)—O(25) | 1.777 (4) |
Gd(1)—O(12) | 2.379 (4) | Mo(1)—O(14) | 1.913 (5) |
Gd(1)—O(13) | 2.396 (5) | Mo(1)—O(6) | 2.362 (4) |
Gd(1)—O(11) | 2.452 (4) | Mo(2)—O(27) | 1.697 (4) |
Gd(1)—O(25) | 2.659 (4) | Mo(2)—O(15)iii | 1.738 (4) |
Gd(2)—O(5) | 2.309 (4) | Mo(2)—O(18)ii | 1.811 (4) |
Gd(2)—O(15) | 2.310 (4) | Mo(2)—O(6) | 1.823 (4) |
Gd(2)—O(17) | 2.383 (5) | Mo(3)—O(16)iii | 1.732 (4) |
Gd(2)—O(4) | 2.386 (5) | Mo(3)—O(22)iv | 1.743 (5) |
Gd(2)—O(3) | 2.388 (4) | Mo(3)—O(12)v | 1.745 (4) |
Gd(2)—O(16) | 2.441 (4) | Mo(3)—O(14) | 1.845 (5) |
Gd(2)—O(18) | 2.444 (4) | Mo(4)—O(1)vi | 1.742 (5) |
Gd(2)—O(2) | 2.464 (5) | Mo(4)—O(19)vii | 1.743 (4) |
Gd(3)—O(20) | 2.342 (4) | Mo(4)—O(7)vii | 1.769 (4) |
Gd(3)—O(22) | 2.377 (5) | Mo(4)—O(3) | 1.808 (4) |
Gd(3)—O(1) | 2.378 (5) | Mo(5)—O(5)i | 1.734 (4) |
Gd(3)—O(3) | 2.382 (4) | Mo(5)—O(13) | 1.734 (5) |
Gd(3)—O(19) | 2.385 (4) | Mo(5)—O(10)viii | 1.745 (5) |
Gd(3)—O(18) | 2.417 (4) | Mo(5)—O(26)ix | 1.832 (4) |
Gd(3)—O(2) | 2.431 (4) | Mo(6)—O(17)i | 1.743 (5) |
Gd(3)—O(23) | 2.481 (4) | Mo(6)—O(4)iii | 1.743 (5) |
Gd(4)—O(7) | 2.268 (4) | Mo(6)—O(20)iv | 1.755 (5) |
Gd(4)—O(8) | 2.320 (6) | Mo(6)—O(11) | 1.810 (4) |
Gd(4)—O(26)i | 2.329 (4) | Mo(7)—O(9)x | 1.741 (5) |
Gd(4)—O(21) | 2.343 (5) | Mo(7)—O(8)ii | 1.747 (6) |
Gd(4)—O(24) | 2.384 (4) | Mo(7)—O(21) | 1.750 (5) |
Gd(4)—O(25)i | 2.409 (4) | Mo(7)—O(2) | 1.792 (5) |
| | | |
O(9)—Gd(1)—O(26) | 73.6 (2) | O(26)i—Gd(4)—O(24) | 122.7 (2) |
O(9)—Gd(1)—O(6) | 136.8 (2) | O(26)i—Gd(4)—O(25)i | 73.7 (2) |
O(9)—Gd(1)—O(10) | 83.0 (2) | O(26)i—Gd(4)—O(11)i | 73.8 (2) |
O(9)—Gd(1)—O(12) | 71.2 (2) | O(21)—Gd(4)—O(24) | 143.5 (2) |
O(9)—Gd(1)—O(13) | 71.6 (2) | O(21)—Gd(4)—O(25)i | 142.3 (2) |
O(9)—Gd(1)—O(11) | 134.1 (2) | O(21)—Gd(4)—O(11)i | 79.3 (2) |
O(9)—Gd(1)—O(25) | 129.2 (2) | O(24)—Gd(4)—O(25)i | 74.1 (2) |
O(26)—Gd(1)—O(6) | 129.9 (2) | O(24)—Gd(4)—O(11)i | 130.4 (2) |
O(26)—Gd(1)—O(10) | 149.5 (2) | O(25)i—Gd(4)—O(11)i | 66.7 (2) |
O(26)—Gd(1)—O(12) | 89.5 (2) | O(24)—Mo(1)—O(23)ii | 104.4 (2) |
O(26)—Gd(1)—O(13) | 85.2 (2) | O(24)—Mo(1)—O(25) | 102.0 (2) |
O(26)—Gd(1)—O(11) | 72.9 (1) | O(24)—Mo(1)—O(14) | 97.2 (2) |
O(26)—Gd(1)—O(25) | 68.7 (1) | O(24)—Mo(1)—O(6) | 168.1 (2) |
O(6)—Gd(1)—O(10) | 80.6 (2) | O(23)ii—Mo(1)—O(25) | 114.8 (2) |
O(6)—Gd(1)—O(12) | 73.3 (2) | O(23)ii—Mo(1)—O(14) | 110.4 (2) |
O(6)—Gd(1)—O(13) | 135.5 (2) | O(23)ii—Mo(1)—O(6) | 86.9 (2) |
O(6)—Gd(1)—O(11) | 89.0 (2) | O(25)—Mo(1)—O(14) | 123.8 (2) |
O(6)—Gd(1)—O(25) | 61.5 (1) | O(25)—Mo(1)—O(6) | 75.8 (2) |
O(10)—Gd(1)—O(12) | 101.4 (2) | O(14)—Mo(1)—O(6) | 75.0 (2) |
O(10)—Gd(1)—O(13) | 68.7 (2) | O(27)—Mo(2)—O(15)iii | 110.2 (2) |
O(10)—Gd(1)—O(11) | 113.2 (2) | O(27)—Mo(2)—O(18)ii | 112.1 (2) |
O(10)—Gd(1)—O(25) | 141.5 (2) | O(27)—Mo(2)—O(6) | 107.9 (2) |
O(12)—Gd(1)—O(13) | 142.4 (2) | O(15)iii—Mo(2)—O(18)ii | 107.7 (2) |
O(12)—Gd(1)—O(11) | 138.0 (2) | O(15)iii—Mo(2)—O(6) | 107.7 (2) |
O(12)—Gd(1)—O(25) | 75.6 (2) | O(18)ii—Mo(2)—O(6) | 111.2 (2) |
O(13)—Gd(1)—O(11) | 75.3 (2) | O(16)iii—Mo(3)—O(22)iv | 109.8 (2) |
O(13)—Gd(1)—O(25) | 135.0 (2) | O(16)iii—Mo(3)—O(12)v | 110.0 (2) |
O(11)—Gd(1)—O(25) | 62.5 (1) | O(16)iii—Mo(3)—O(14) | 110.5 (2) |
O(5)—Gd(2)—O(15) | 67.6 (2) | O(22)iv—Mo(3)—O(12)v | 109.3 (2) |
O(5)—Gd(2)—O(17) | 75.4 (2) | O(22)iv—Mo(3)—O(14) | 107.7 (2) |
O(5)—Gd(2)—O(4) | 87.2 (2) | O(12)v—Mo(3)—O(14) | 109.6 (2) |
O(5)—Gd(2)—O(3) | 142.3 (2) | O(1)vi—Mo(4)—O(19)vii | 108.4 (2) |
O(5)—Gd(2)—O(16) | 137.6 (2) | O(1)vi—Mo(4)—O(7)vii | 107.2 (2) |
O(5)—Gd(2)—O(18) | 117.3 (2) | O(1)vi—Mo(4)—O(3) | 106.5 (2) |
O(5)—Gd(2)—O(2) | 74.6 (2) | O(19)vii—Mo(4)—O(7)vii | 109.7 (2) |
O(15)—Gd(2)—O(17) | 135.5 (2) | O(19)vii—Mo(4)—O(3) | 109.9 (2) |
O(15)—Gd(2)—O(4) | 83.6 (2) | O(7)vii—Mo(4)—O(3) | 114.8 (2) |
O(15)—Gd(2)—O(3) | 146.0 (2) | O(5)i—Mo(5)—O(13) | 105.0 (2) |
O(15)—Gd(2)—O(16) | 72.9 (2) | O(5)i—Mo(5)—O(10)viii | 107.9 (2) |
O(15)—Gd(2)—O(18) | 85.0 (2) | O(5)i—Mo(5)—O(26)ix | 117.0 (2) |
O(15)—Gd(2)—O(2) | 111.6 (2) | O(13)—Mo(5)—O(10)viii | 110.4 (2) |
O(17)—Gd(2)—O(4) | 70.5 (2) | O(13)—Mo(5)—O(26)ix | 110.1 (2) |
O(17)—Gd(2)—O(3) | 78.0 (2) | O(10)viii—Mo(5)—O(26)ix | 106.5 (2) |
O(17)—Gd(2)—O(16) | 128.7 (2) | O(17)i—Mo(6)—O(4)iii | 112.7 (3) |
O(17)—Gd(2)—O(18) | 135.4 (2) | O(17)i—Mo(6)—O(20)iv | 106.8 (2) |
O(17)—Gd(2)—O(2) | 79.9 (2) | O(17)i—Mo(6)—O(11) | 110.2 (2) |
O(4)—Gd(2)—O(3) | 108.3 (2) | O(4)iii—Mo(6)—O(20)iv | 109.3 (2) |
O(4)—Gd(2)—O(16) | 73.5 (2) | O(4)iii—Mo(6)—O(11) | 106.0 (2) |
O(4)—Gd(2)—O(18) | 146.2 (2) | O(20)iv—Mo(6)—O(11) | 112.0 (2) |
O(4)—Gd(2)—O(2) | 148.5 (2) | O(9)x—Mo(7)—O(8)ii | 107.9 (3) |
O(3)—Gd(2)—O(16) | 80.0 (2) | O(9)x—Mo(7)—O(21) | 107.7 (2) |
O(3)—Gd(2)—O(18) | 67.3 (1) | O(9)x—Mo(7)—O(2) | 113.0 (2) |
O(3)—Gd(2)—O(2) | 74.9 (1) | O(8)ii—Mo(7)—O(21) | 111.7 (3) |
O(16)—Gd(2)—O(18) | 72.7 (2) | O(8)ii—Mo(7)—O(2) | 107.5 (2) |
O(16)—Gd(2)—O(2) | 136.4 (2) | O(21)—Mo(7)—O(2) | 109.1 (2) |
O(18)—Gd(2)—O(2) | 64.9 (2) | Mo(4)xi—O(1)—Gd(3) | 151.9 (3) |
O(20)—Gd(3)—O(22) | 73.4 (2) | Mo(7)—O(2)—Gd(3) | 126.8 (2) |
O(20)—Gd(3)—O(1) | 82.7 (2) | Mo(7)—O(2)—Gd(2) | 137.3 (2) |
O(20)—Gd(3)—O(3) | 71.6 (2) | Gd(3)—O(2)—Gd(2) | 95.9 (2) |
O(20)—Gd(3)—O(19) | 79.3 (2) | Mo(4)—O(3)—Gd(3) | 129.3 (2) |
O(20)—Gd(3)—O(18) | 120.8 (2) | Mo(4)—O(3)—Gd(2) | 130.3 (2) |
O(20)—Gd(3)—O(2) | 138.9 (2) | Gd(3)—O(3)—Gd(2) | 99.3 (2) |
O(20)—Gd(3)—O(23) | 133.2 (2) | Mo(6)xii—O(4)—Gd(2) | 159.2 (3) |
O(22)—Gd(3)—O(1) | 91.1 (2) | Mo(5)i—O(5)—Gd(2) | 157.3 (3) |
O(22)—Gd(3)—O(3) | 101.6 (2) | Mo(2)—O(6)—Mo(1) | 116.4 (2) |
O(22)—Gd(3)—O(19) | 149.0 (2) | Mo(2)—O(6)—Gd(1) | 137.0 (2) |
O(22)—Gd(3)—O(18) | 74.7 (2) | Mo(1)—O(6)—Gd(1) | 106.6 (2) |
O(22)—Gd(3)—O(2) | 138.4 (2) | Mo(4)vii—O(7)—Gd(4) | 144.8 (2) |
O(22)—Gd(3)—O(23) | 68.4 (2) | Mo(7)ii—O(8)—Gd(4) | 161.7 (3) |
O(1)—Gd(3)—O(3) | 146.3 (2) | Mo(7)xiii—O(9)—Gd(1) | 145.0 (3) |
O(1)—Gd(3)—O(19) | 70.9 (2) | Mo(5)viii—O(10)—Gd(1) | 158.2 (3) |
O(1)—Gd(3)—O(18) | 145.9 (2) | Mo(6)—O(11)—Gd(4)i | 136.7 (2) |
O(1)—Gd(3)—O(2) | 114.3 (2) | Mo(6)—O(11)—Gd(1) | 126.2 (2) |
O(1)—Gd(3)—O(23) | 72.2 (2) | Gd(4)i—O(11)—Gd(1) | 96.5 (2) |
O(3)—Gd(3)—O(19) | 82.9 (2) | Mo(3)xiv—O(12)—Gd(1) | 158.9 (3) |
O(3)—Gd(3)—O(18) | 67.8 (2) | Mo(5)—O(13)—Gd(1) | 169.7 (3) |
O(3)—Gd(3)—O(2) | 75.7 (2) | Mo(3)—O(14)—Mo(1) | 150.9 (3) |
O(3)—Gd(3)—O(23) | 141.5 (1) | Mo(2)xii—O(15)—Gd(2) | 147.6 (3) |
O(19)—Gd(3)—O(18) | 133.5 (2) | Mo(3)xii—O(16)—Gd(2) | 138.8 (2) |
O(19)—Gd(3)—O(2) | 72.5 (2) | Mo(6)i—O(17)—Gd(2) | 164.5 (3) |
O(19)—Gd(3)—O(23) | 125.3 (2) | Mo(2)ii—O(18)—Gd(3) | 134.6 (2) |
O(18)—Gd(3)—O(2) | 65.8 (1) | Mo(2)ii—O(18)—Gd(2) | 128.0 (2) |
O(18)—Gd(3)—O(23) | 73.7 (1) | Gd(3)—O(18)—Gd(2) | 96.8 (1) |
O(2)—Gd(3)—O(23) | 87.8 (2) | Mo(4)vii—O(19)—Gd(3) | 158.3 (3) |
O(7)—Gd(4)—O(8) | 90.6 (2) | Mo(6)xv—O(20)—Gd(3) | 145.7 (3) |
O(7)—Gd(4)—O(26)i | 152.5 (2) | Mo(7)—O(21)—Gd(4) | 162.5 (3) |
O(7)—Gd(4)—O(21) | 83.4 (2) | Mo(3)xv—O(22)—Gd(3) | 140.4 (3) |
O(7)—Gd(4)—O(24) | 81.9 (2) | Mo(1)ii—O(23)—Gd(3) | 151.2 (2) |
O(7)—Gd(4)—O(25)i | 105.5 (2) | Mo(1)—O(24)—Gd(4) | 139.2 (2) |
O(7)—Gd(4)—O(11)i | 80.7 (2) | Mo(1)—O(25)—Gd(4)i | 139.7 (2) |
O(8)—Gd(4)—O(26)i | 106.7 (2) | Mo(1)—O(25)—Gd(1) | 116.0 (2) |
O(8)—Gd(4)—O(21) | 71.9 (2) | Gd(4)i—O(25)—Gd(1) | 91.7 (1) |
O(8)—Gd(4)—O(24) | 75.0 (2) | Mo(5)ix—O(26)—Gd(4)i | 129.6 (2) |
O(8)—Gd(4)—O(25)i | 142.4 (2) | Mo(5)ix—O(26)—Gd(1) | 128.1 (2) |
O(8)—Gd(4)—O(11)i | 150.7 (2) | Gd(4)i—O(26)—Gd(1) | 102.0 (2) |
O(26)i—Gd(4)—O(21) | 82.0 (2) | | |
Symmetry codes: (i) −x+1/2, −y+3/2, −z; (ii) −x+1, y, −z+1/2; (iii) x−1/2, −y+3/2, z+1/2; (iv) x−1/2, y−1/2, z; (v) −x+1/2, y−1/2, −z+1/2; (vi) x, −y+2, z−1/2; (vii) −x+1, −y+2, −z; (viii) −x, y, −z+1/2; (ix) −x, −y+2, −z; (x) x+1/2, y−1/2, z; (xi) x, −y+2, z+1/2; (xii) x+1/2, −y+3/2, z−1/2; (xiii) x−1/2, y+1/2, z; (xiv) −x+1/2, y+1/2, −z+1/2; (xv) x+1/2, y+1/2, z. |